Molecule

ID:120686

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClO₂
Molecular Mass
222.66754
Exact Mass
222.04475727
Charge
0
InChI
InChI=1S/C12H11ClO2/c1-8-2-3-9(6-11(8)13)12-5-4-10(7-14)15-12/h2-6,14H,7H2,1H3
InChIKey
VFGLIRCZYOZPQE-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(o1)c1ccc(c(c1)Cl)C
Isomeric Smiles
c1(oc(cc1)CO)c1cc(c(cc1)C)Cl
Calculated Properties
JChem
Acid pKa
13.774324
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9508352
LogD (pH = 7.4)
2.950835
Log P
2.9508352
Molar Refractivity
60.1245
Polarizability
24.22319
Polar Surface Area
33.37
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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